SCHEMBL3880910

SCHEMBL3880910

COc1c(C(=O)N(C)C)cnc2ccc(I)cc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.42
PDE4B Q07343 2/20 0.41
GAK O14976 1/20 0.40
RIPK2 O43353 1/20 0.40
COQ8A Q8NI60 1/20 0.40
NLK Q9UBE8 1/20 0.40
NUDT1 P36639 2/20 0.39
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
PARP1 P09874 1/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.34
PIK3C3 Q8NEB9 1/20 0.34
GAA P10253 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3880885 0.85 LMNA (0.46) APPPDE4BGAKRIPK2COQ8A
SCHEMBL3880378 0.84 KDM4E (0.47) APPPDE4BGAKRIPK2COQ8A
SCHEMBL3891379 0.84 TSHR (0.46) APPGAKRIPK2COQ8ANLK
SCHEMBL3883577 0.82 PDE4B (0.39) PDE4BNUDT1MEN1KMT2ATSHR
SCHEMBL14452595 0.77 GAK (0.39) APPGAKRIPK2COQ8ANLK
SCHEMBL3891632 0.70 MEN1 (0.57) MEN1KMT2ALMNAKDM4EGAA
SCHEMBL14452541 0.69 ALDH1A1 (0.53) MEN1KMT2ATSHRHTTKDM4E
SCHEMBL14452550 0.69 NNMT (0.50) PDE4BMEN1KMT2AKDM4EGAA
SCHEMBL1618188 0.67 PARP1 (0.41) APPMEN1KMT2ATSHRHTT
SCHEMBL3884256 0.67 LMNA (0.44) APPPDE4BNUDT1TSHRHTT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
EP-1771443-B1 QUINOLINE THIAZOLINONES WITH CDK-1 ANTIPROLIFERATIVE ACTIVITY HOFFMANN LA ROCHE (CH) 2009-01-07 EP disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
US-7250515-B2 Thiazolinone 3,4-disubstituted quinolines HOFFMAN-LA ROCHE INC. (US) 2007-07-31 US disclosed
EP-1771443-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F.HOFFMANN-LA ROCHE AG (CH) 2007-04-11 EP disclosed
WO-2006002828-A1 QUINOLINE THIAZOLINONES WITH CDK1 ANTIPROLIFERATIVE ACTIVITY F. HOFFMANN-LA ROCHE AG (CH) 2006-01-12 WO disclosed
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CHEN LI 2006-01-05 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060004046-A1 Thiazolinone 3,4-disubstituted quinolines CDK1, CDK17, CDK14 APP 4860/4885PDE4B 2464/4885GAK 93/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.